SCHEMBL4608420

SCHEMBL4608420

CC(=O)c1cccc(F)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
BCHE P06276 1/20 0.47
ALB P02768 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
G6PD P11413 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30515953 1.00 KMT2A (0.49) KMT2ACES2CES1BCHEALB
SCHEMBL3498784 0.84 G6PD (0.46) KMT2ASMN1; SMN2GAAALDH1A1ALOX15
SCHEMBL161951 0.81 ALB (0.61) CES2CES1BCHEALBSMN1; SMN2
SCHEMBL160221 0.81 CES2 (0.48) CES2CES1BCHEALBGAA
SCHEMBL28121161 0.79 CES2 (0.38) KMT2ACES2CES1BCHEALB
SCHEMBL7459410 0.79 MEN1 (0.44) KMT2ACES2CES1BCHEALB
SCHEMBL222258 0.79 ALDH1A1 (0.56) KMT2ASMN1; SMN2GAAALDH1A1MEN1
SCHEMBL1292923 0.79 GAA (0.67) KMT2ACES2CES1BCHEALB
SCHEMBL9118756 0.79 CES2 (0.47) CES2CES1BCHEALBHDAC1
SCHEMBL29772247 0.78 CES2 (0.68) KMT2ACES2CES1BCHEALB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 CN disclosed
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 US disclosed
US-11124504-B2 Kappa opioid receptor antagonists and products and methods related thereto THE SCRIPPS RESEARCH INSTITUTE (US) 2021-09-21 US disclosed
US-20210047310-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2021-02-18 US disclosed
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2020-06-09 US disclosed
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-01-24 US disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed
US-5861358-A EFFECTIVE AGAINST MONO- AND DI-COTYLEDON WEEDS BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0754179-A1 SUBSTITUTED SULPHONYLAMINOCARBONYLTRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1997-01-22 EP disclosed
WO-1995027703-A1 SUBSTITUTED SULPHONYLAMINOCARBONYLTRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed
EP-0325247-B1 CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
US-5061800-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-10-29 US disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 KMT2A 1382/4885CES2 2736/4885CES1 1363/4885
US-11124504-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 KMT2A 1362/4885CES2 2633/4885CES1 1322/4885
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 KMT2A 1362/4885CES2 2633/4885CES1 1322/4885
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 KMT2A 1362/4885CES2 2633/4885CES1 1322/4885
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B KMT2A 3475/4885CES2 39/4885CES1 205/4885
US-20210047310-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 KMT2A 1362/4885CES2 2633/4885CES1 1322/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 KMT2A 4242/4885CES2 2295/4885CES1 1956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.